UCSF

ZINC13569109

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: 4-{[4-hydroxy-5-oxo-2-phenyl-1-(2-piperidin-1-ylethyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide 4-{[4-hydroxy-5-oxo-2-phenyl-1-(…

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Other Names:

MFCD03008988

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 9.38 -66.3 1 8 0 102 497.617 8 ↓
Hi High (pH 8-9.5) 2.63 7.1 -58.9 0 8 -1 101 496.609 8 ↓
Mid Mid (pH 6-8) 3.08 9.56 -46.07 2 8 1 99 498.625 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.